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ACROSORGANICS-ZINC02556258

 MMsINC code: MMs00014208
Type: Neutral
Formula: C5H2O5
SMILES:   OC1C(=O)C(=O)C(=O)C1=O
InChI:   InChI=1/C5H2O5/c6-1-2(7)4(9)5(10)3(1)8/h1,6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.4438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.066 g/mol  logS: -0.86224  SlogP: -2.3627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105323  Sterimol/B1: 2.45806  Sterimol/B2: 2.81888  Sterimol/B3: 3.92691
  Sterimol/B4: 4.16964  Sterimol/L: 8.2645 
 
 Surface and Volume Properties
  Accessible surface: 270.473  Positive charged surface: 103.5  Negative charged surface: 166.973  Volume: 101.875
  Hydrophobic surface: 20.6035  Hydrophilic surface: 249.8695
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.